1-(2-pyridin-4-ylsulfanylethanoyl)pyrrolidine-2-carboxylic acid

Systemtic Name: 1-(2-pyridin-4-ylsulfanylethanoyl)pyrrolidine-2-carboxylic acid Openeye Name: 1-[2-(4-pyridylsulfanyl)acetyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[1-oxo-2-(pyridin-4-ylthio)ethyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-(2-pyridin-4-ylsulfanylacetyl)pyrrolidine-2-carboxylic acid Traditional Name: 1-[2-(4-pyridylthio)acetyl]proline Formula: C12H14N2O3S MolecularWeight: 266.31616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CSC2=CC=NC=C2)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(=O)CSC2=CC=NC=C2)C(=O)O

InChI

InChI=1S/C12H14N2O3S/c15-11(8-18-9-3-5-13-6-4-9)14-7-1-2-10(14)12(16)17/h3-6,10H,1-2,7-8H2,(H,16,17)